2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline

C12H16ClFN2O — CID 28877194

IUPAC2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccc(NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c13-11-9-10(14)1-2-12(11)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyTWDZSRFDWPMNGS-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.22
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline

2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28877194) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28877194
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccc(NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c13-11-9-10(14)1-2-12(11)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyTWDZSRFDWPMNGS-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline (CID 28877194) is 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline is Fc1ccc(NCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is TWDZSRFDWPMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-9-10(14)1-2-12(11)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline?
2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 258.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28877194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).